4-acetyl-N-[2-(2-fluorophenoxy)pyrimidin-5-yl]benzamide

C19H14FN3O3 — CID 122303112

IUPAC4-acetyl-N-[2-(2-fluorophenoxy)pyrimidin-5-yl]benzamide
SMILESCC(=O)c1ccc(C(=O)Nc2cnc(Oc3ccccc3F)nc2)cc1
InChIInChI=1S/C19H14FN3O3/c1-12(24)13-6-8-14(9-7-13)18(25)23-15-10-21-19(22-11-15)26-17-5-3-2-4-16(17)20/h2-11H,1H3,(H,23,25)
InChIKeyUXBHXLLPZMBPCE-UHFFFAOYSA-N
MW351.34 g/mol
LogP3.86
Rot. Bonds5

About 4-acetyl-N-[2-(2-fluorophenoxy)pyrimidin-5-yl]benzamide

4-acetyl-N-[2-(2-fluorophenoxy)pyrimidin-5-yl]benzamide (PubChem CID 122303112) has the molecular formula C19H14FN3O3 and a molecular weight of 351.34 g/mol. Its IUPAC name is 4-acetyl-N-[2-(2-fluorophenoxy)pyrimidin-5-yl]benzamide.

Molecular Properties

Compound Name4-acetyl-N-[2-(2-fluorophenoxy)pyrimidin-5-yl]benzamide
PubChem CID122303112
Molecular FormulaC19H14FN3O3
Molecular Weight351.34 g/mol
Exact Mass351.10
IUPAC Name4-acetyl-N-[2-(2-fluorophenoxy)pyrimidin-5-yl]benzamide
SMILESCC(=O)c1ccc(C(=O)Nc2cnc(Oc3ccccc3F)nc2)cc1
InChIInChI=1S/C19H14FN3O3/c1-12(24)13-6-8-14(9-7-13)18(25)23-15-10-21-19(22-11-15)26-17-5-3-2-4-16(17)20/h2-11H,1H3,(H,23,25)
InChIKeyUXBHXLLPZMBPCE-UHFFFAOYSA-N
XLogP3.86
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.34
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2-fluorophenoxy)pyrimidin-5-yl]pyridine-4-carboxamide
CID 91968386
N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-3,4-dimethoxybenzamide
CID 91968353
N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-2-methoxypyridine-3-carboxamide
CID 122303080
1-[2-(2-fluorophenoxy)pyrimidin-5-yl]-3-phenylurea
CID 71799859
N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-2-iodobenzamide
CID 122303200
1-(4-tert-butylphenyl)-3-[2-(2-fluorophenoxy)pyrimidin-5-yl]urea
CID 122303193
1-(3,5-difluorophenyl)-3-[2-(2-fluorophenoxy)pyrimidin-5-yl]urea
CID 122302932
N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-4-methylbenzamide
CID 122303223
N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-3-(tetrazol-1-yl)benzamide
CID 122303073
N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-3-methoxy-1-methylpyrazole-4-carboxamide
CID 122303009
N-(2-phenoxypyrimidin-5-yl)benzamide
CID 122302199
4-methylsulfanyl-N-(2-phenoxypyrimidin-5-yl)benzamide
CID 122302430

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[2-(2-fluorophenoxy)pyrimidin-5-yl]benzamide?
The IUPAC name of 4-acetyl-N-[2-(2-fluorophenoxy)pyrimidin-5-yl]benzamide (CID 122303112) is 4-acetyl-N-[2-(2-fluorophenoxy)pyrimidin-5-yl]benzamide.
What is the SMILES notation for 4-acetyl-N-[2-(2-fluorophenoxy)pyrimidin-5-yl]benzamide?
The canonical SMILES for 4-acetyl-N-[2-(2-fluorophenoxy)pyrimidin-5-yl]benzamide is CC(=O)c1ccc(C(=O)Nc2cnc(Oc3ccccc3F)nc2)cc1.
What is the InChIKey of 4-acetyl-N-[2-(2-fluorophenoxy)pyrimidin-5-yl]benzamide?
The InChIKey is UXBHXLLPZMBPCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN3O3/c1-12(24)13-6-8-14(9-7-13)18(25)23-15-10-21-19(22-11-15)26-17-5-3-2-4-16(17)20/h2-11H,1H3,(H,23,25).
What are the key properties of 4-acetyl-N-[2-(2-fluorophenoxy)pyrimidin-5-yl]benzamide?
4-acetyl-N-[2-(2-fluorophenoxy)pyrimidin-5-yl]benzamide has a molecular weight of 351.34 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-[2-(2-fluorophenoxy)pyrimidin-5-yl]benzamide is sourced from PubChem (CID 122303112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).